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Update org card: rebrand DeepYoke -> HydroSophy
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README.md
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## π Our Vision
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Our mission is to democratize scientific discovery by making advanced AI tools accessible to researchers worldwide, accelerating the pace of innovation across multiple scientific domains.
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## π Research Focus
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### 𧬠AI for Science
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### π€ Multimodal Intelligence
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### π Benchmark & Evaluation
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## π Featured Projects
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### π§ͺ ToxiMol
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**
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*Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?*
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### π¬ Upcoming Projects
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Coming Soon...
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*"Where algorithms meet atoms, where intelligence illuminates discovery, where language bridges knowledge and practice
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**Coding the Future of Science, Illuminating Tomorrow with Wisdom**
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# HydroSophy AI Lab
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## π Our Vision
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**HydroSophy** is a non-profit research collective dedicated to building bridges between **artificial intelligence** and the **natural sciences**. Inspired by the Greek roots *Hydro* (water) and *Sophia* (wisdom), we believe that knowledge β like water β should flow freely, nourishing discovery, dissolving disciplinary boundaries, and shaping the contours of tomorrow's science.
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Our mission is to democratize scientific discovery by making advanced AI tools, rigorous benchmarks and high-quality datasets accessible to researchers worldwide, accelerating the pace of innovation across multiple scientific domains.
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## π Research Focus
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### 𧬠AI for Science
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- **Molecular Modeling & Drug Design** β Accelerating pharmaceutical research through intelligent molecular design and structure-level editing
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- **Structural Biology** β Understanding protein and small-molecule structures with AI
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- **Cheminformatics** β Bridging chemistry and computational intelligence
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- **Scientific Computing Acceleration** β Optimizing computational workflows for scientific discovery
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### π€ Multimodal Intelligence
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- **Multimodal Large Language Models** β Integrating vision, language and scientific reasoning
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- **VisionβLanguageβMolecule Understanding** β Joint reasoning over SMILES, 2D depictions and natural language
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- **Intelligent Scientific Literature Analysis** β Extracting structured insight from vast research corpora
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- **Cross-modal Knowledge Fusion** β Synthesizing information across heterogeneous scientific modalities
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### π Benchmark & Evaluation
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- **Scientific AI Benchmarking** β Establishing rigorous, reproducible evaluation standards for AI4Science
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- **Dataset Construction & Standardization** β Creating high-quality, expert-annotated, mechanism-aware datasets
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- **Evaluation Framework Development** β Building transparent, extensible assessment toolkits
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- **Open Science Ecosystem** β Fostering collaborative, reproducible research environments
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## π Featured Projects
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### π§ͺ ToxiMol Β· *KDD 2026 Oral*
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A comprehensive benchmark for **molecular toxicity repair**, evaluating the capabilities of Multimodal Large Language Models in structure-level molecular detoxification.
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**π [Dataset](https://huggingface.co/datasets/HydroSophyTech/ToxiMol-benchmark)** | **π [Paper](https://arxiv.org/abs/2506.10912)** | **π¬ [Code](https://github.com/HydroSophy/ToxiMol)**
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*Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?*
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### π¬ Upcoming Projects
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- Multimodal foundation models for molecular reasoning
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- Mechanism-aware editing across broader therapeutic modalities
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- Open evaluation infrastructure for AI4Science
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*"Where algorithms meet atoms, where intelligence illuminates discovery, where language bridges knowledge and practice β this is **HydroSophy**."*
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**Coding the Future of Science, Illuminating Tomorrow with Wisdom**
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